2-[3-(chloromethyl)-1-cyclopropyl-2,2-dimethylcyclopropyl]thiophene

C13H17ClS — CID 130489133

IUPAC2-[3-(chloromethyl)-1-cyclopropyl-2,2-dimethylcyclopropyl]thiophene
SMILESCC1(C)C(CCl)C1(c1cccs1)C1CC1
InChIInChI=1S/C13H17ClS/c1-12(2)10(8-14)13(12,9-5-6-9)11-4-3-7-15-11/h3-4,7,9-10H,5-6,8H2,1-2H3
InChIKeyYLNBBFGZKPIJOG-UHFFFAOYSA-N
MW240.80 g/mol
LogP4.29
Rot. Bonds3

About 2-[3-(chloromethyl)-1-cyclopropyl-2,2-dimethylcyclopropyl]thiophene

2-[3-(chloromethyl)-1-cyclopropyl-2,2-dimethylcyclopropyl]thiophene (PubChem CID 130489133) has the molecular formula C13H17ClS and a molecular weight of 240.80 g/mol. Its IUPAC name is 2-[3-(chloromethyl)-1-cyclopropyl-2,2-dimethylcyclopropyl]thiophene.

Molecular Properties

Compound Name2-[3-(chloromethyl)-1-cyclopropyl-2,2-dimethylcyclopropyl]thiophene
PubChem CID130489133
Molecular FormulaC13H17ClS
Molecular Weight240.80 g/mol
Exact Mass240.07
IUPAC Name2-[3-(chloromethyl)-1-cyclopropyl-2,2-dimethylcyclopropyl]thiophene
SMILESCC1(C)C(CCl)C1(c1cccs1)C1CC1
InChIInChI=1S/C13H17ClS/c1-12(2)10(8-14)13(12,9-5-6-9)11-4-3-7-15-11/h3-4,7,9-10H,5-6,8H2,1-2H3
InChIKeyYLNBBFGZKPIJOG-UHFFFAOYSA-N
XLogP4.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.80
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(chloromethyl)-1-cyclopropyl-2,2-dimethylcyclopropyl]thiophene?
The IUPAC name of 2-[3-(chloromethyl)-1-cyclopropyl-2,2-dimethylcyclopropyl]thiophene (CID 130489133) is 2-[3-(chloromethyl)-1-cyclopropyl-2,2-dimethylcyclopropyl]thiophene.
What is the SMILES notation for 2-[3-(chloromethyl)-1-cyclopropyl-2,2-dimethylcyclopropyl]thiophene?
The canonical SMILES for 2-[3-(chloromethyl)-1-cyclopropyl-2,2-dimethylcyclopropyl]thiophene is CC1(C)C(CCl)C1(c1cccs1)C1CC1.
What is the InChIKey of 2-[3-(chloromethyl)-1-cyclopropyl-2,2-dimethylcyclopropyl]thiophene?
The InChIKey is YLNBBFGZKPIJOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClS/c1-12(2)10(8-14)13(12,9-5-6-9)11-4-3-7-15-11/h3-4,7,9-10H,5-6,8H2,1-2H3.
What are the key properties of 2-[3-(chloromethyl)-1-cyclopropyl-2,2-dimethylcyclopropyl]thiophene?
2-[3-(chloromethyl)-1-cyclopropyl-2,2-dimethylcyclopropyl]thiophene has a molecular weight of 240.80 g/mol, XLogP of 4.29, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(chloromethyl)-1-cyclopropyl-2,2-dimethylcyclopropyl]thiophene is sourced from PubChem (CID 130489133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).